CID 464414

Aag165

Structural Information

Molecular Formula
C18H25ClN4O2
SMILES
C1CCCC(CC1)NC2=CC(=NC3=C2N=CN3[C@H]4CC[C@H](O4)CO)Cl
InChI
InChI=1S/C18H25ClN4O2/c19-15-9-14(21-12-5-3-1-2-4-6-12)17-18(22-15)23(11-20-17)16-8-7-13(10-24)25-16/h9,11-13,16,24H,1-8,10H2,(H,21,22)/t13-,16+/m0/s1
InChIKey
GXUKERFUHADYJZ-XJKSGUPXSA-N
Compound name
[(2S,5R)-5-[5-chloro-7-(cycloheptylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

364.1666 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17388 186.5
[M+Na]+ 387.15582 192.4
[M-H]- 363.15932 193.1
[M+NH4]+ 382.20042 197.2
[M+K]+ 403.12976 190.4
[M+H-H2O]+ 347.16386 175.3
[M+HCOO]- 409.16480 196.7
[M+CH3COO]- 423.18045 194.7
[M+Na-2H]- 385.14127 184.6
[M]+ 364.16605 182.2
[M]- 364.16715 182.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.